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67274-90-2 | 1-Naphthaleneacetaldehyde, 1,2-dihydro-1-methoxy-2-oxo-
CAS No: 67274-90-2 Catalog No: AG0062XP MDL No:
Product Description
Catalog Number:
AG0062XP
Chemical Name:
1-Naphthaleneacetaldehyde, 1,2-dihydro-1-methoxy-2-oxo-
CAS Number:
67274-90-2
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
2-(1-methoxy-2-oxonaphthalen-1-yl)acetaldehyde
InChI:
InChI=1S/C13H12O3/c1-16-13(8-9-14)11-5-3-2-4-10(11)6-7-12(13)15/h2-7,9H,8H2,1H3
InChI Key:
HXBMUNWVGPNIGT-UHFFFAOYSA-N
SMILES:
O=CCC1(OC)C(=O)C=Cc2c1cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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